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	hartrees
Energy at 0K	-61.154657
Energy at 298.15K
HF Energy	-60.398005
Nuclear repulsion energy	99.237670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3552	61.78
2	A'	3719	3531	82.23
3	A'	3105	2948	33.90
4	A'	1817	1725	266.76
5	A'	1523	1446	8.64
6	A'	1502	1426	3.81
7	A'	1362	1293	133.36
8	A'	1305	1239	38.24
9	A'	1195	1135	158.55
10	A'	1122	1065	229.36
11	A'	875	831	28.01
12	A'	640	607	17.42
13	A'	466	443	27.61
14	A'	275	261	7.64
15	A"	3163	3003	20.08
16	A"	1257	1193	1.07
17	A"	1055	1002	0.29
18	A"	658	624	155.72
19	A"	513	487	8.05
20	A"	254	241	84.12
21	A"	60i	57i	37.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.602	-0.879	0.000
C2	0.000	0.531	0.000
O3	-0.965	1.494	0.000
O4	1.211	0.766	0.000
O5	0.418	-1.874	0.000
H6	-1.240	-0.979	0.896
H7	-1.240	-0.979	-0.896
H8	1.274	-1.395	0.000
H9	-0.491	2.356	0.000

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5330	2.4004	2.4479	1.4247	1.1052	1.1052	1.9453	3.2370
C2	1.5330		1.3632	1.2334	2.4410	2.1499	2.1499	2.3093	1.8900
O3	2.4004	1.3632		2.2941	3.6407	2.6447	2.6447	3.6550	0.9841
O4	2.4479	1.2334	2.2941		2.7568	3.1397	3.1397	2.1626	2.3287
O5	1.4247	2.4410	3.6407	2.7568		2.0867	2.0867	0.9806	4.3266
H6	1.1052	2.1499	2.6447	3.1397	2.0867		1.7928	2.7014	3.5339
H7	1.1052	2.1499	2.6447	3.1397	2.0867	1.7928		2.7014	3.5339
H8	1.9453	2.3093	3.6550	2.1626	0.9806	2.7014	2.7014		4.1457
H9	3.2370	1.8900	0.9841	2.3287	4.3266	3.5339	3.5339	4.1457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.823	C1	C2	O4	124.114
C1	O5	H8	106.482	C2	C1	O5	111.187
C2	C1	H6	108.066	C2	C1	H7	108.066
C2	O3	H9	106.134	O3	C2	O4	124.064
O5	C1	H6	110.506	O5	C1	H7	110.506
H6	C1	H7	108.411

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)

using model chemistry: MP2/CEP-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HOCH2COOH (Hydroxyacetic acid)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)